1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone

C19H22N2O3 — CID 158122955

IUPAC1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(O[C@H]3CCCOC3)cc(C)n2)nc1
InChIInChI=1S/C19H22N2O3/c1-13-5-6-15(20-11-13)9-19(22)18-10-17(8-14(2)21-18)24-16-4-3-7-23-12-16/h5-6,8,10-11,16H,3-4,7,9,12H2,1-2H3/t16-/m0/s1
InChIKeyQOZLTDNAINXQCS-INIZCTEOSA-N
MW326.40 g/mol
LogP3.08
Rot. Bonds5

About 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone

1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 158122955) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID158122955
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(O[C@H]3CCCOC3)cc(C)n2)nc1
InChIInChI=1S/C19H22N2O3/c1-13-5-6-15(20-11-13)9-19(22)18-10-17(8-14(2)21-18)24-16-4-3-7-23-12-16/h5-6,8,10-11,16H,3-4,7,9,12H2,1-2H3/t16-/m0/s1
InChIKeyQOZLTDNAINXQCS-INIZCTEOSA-N
XLogP3.08
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone (CID 158122955) is 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cc(O[C@H]3CCCOC3)cc(C)n2)nc1.
What is the InChIKey of 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is QOZLTDNAINXQCS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-5-6-15(20-11-13)9-19(22)18-10-17(8-14(2)21-18)24-16-4-3-7-23-12-16/h5-6,8,10-11,16H,3-4,7,9,12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 326.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 158122955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).